기본 정보
- 표준 SMILES
CC#C[C@@H](CC(=O)OCC)c1ccc(O)cc1- InChIKey
IHSMNXDTRPKCCG-LBPRGKRZSA-N- 분자식
- C14H16O3
- 평균 분자량
- 232.27 g/mol
- 단동위원소 질량
- 232.10994437
이름 및 식별자
- 우선 이름
- Ethyl (3S)-3-(4-hydroxyphenyl)hex-4-ynoate
- IUPAC
- ethyl (3S)-3-(4-hydroxyphenyl)hex-4-ynoate
이름 및 동의어
1292290-97-1Ethyl (3S)-3-(4-hydroxyphenyl)hex-4-ynoate(S)-Ethyl 3-(4-hydroxyphenyl)hex-4-ynoate(3S)-3-(4-Hydroxyphenyl)-4-hexynoic acid ethyl esterMFCD27956896ethyl (S)-3-(4-hydroxyphenyl)hex-4-ynoateBenzenepropanoic acid, 4-hydroxy-beta-1-propyn-1-yl-, ethyl ester, (betaS)-(S)-3-(4-Hydroxyphenyl)-4-hexynoic acid ethyl ester(3S)?-?3-?(4-?Hydroxyphenyl)?-?4-?hexynoic acid ethyl esterSCHEMBL1587136IHSMNXDTRPKCCG-LBPRGKRZSA-NCS-B1146
이름 더 보기
EOS-61961AKOS025290913AS-52025(S)-Ethyl3-(4-hydroxyphenyl)hex-4-ynoateethyl(3S)-3-(4-hydroxyphenyl)hex-4-ynateethyl(S)-3-(4-hydroxyphenyl)hex-4-ynoate(S)-ethyl 3-(4-hydroxyphenyl)hex-4-inoate(3S)-ethyl 3-(4-hydroxyphenyl)hex-4-ynoate
데이터베이스 식별자
- PubChem CID
- 67087065
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 46.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 302
관련 반응
5건
화합물 노트
불러오는 중…